sc-PDB

List of CHEMBLId :

This value allows a number of roughly comparable measures of half-maximal response concentration/potency/affinity to be compared on a negative logarithmic scale (e.g., an IC50 measurement of 1nM would have a pChEMBL value of 9).

Uniprot Annotation

Name:	43.2 kDa salivary protein
ID:	Q5WPU9_LUTLO
AC:	Q5WPU9
Organism:	Lutzomyia longipalpis
Reign:	Eukaryota
TaxID:	7200
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

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Ligand binding site composition:

B-Factor:	41.096
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.116	1113.750

% Hydrophobic	% Polar
36.36	63.64
According to VolSite

HET Code:	SRO
Formula:	C10H13N2O
Molecular weight:	177.223 g/mol
DrugBank ID:	DB08839
Buried Surface Area:	74.79 %
Polar Surface area:	63.66 Å2

Number of
H-Bond Acceptors:	1
H-Bond Donors:	3
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
37.9052	-24.1092	-12.3195

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